Basic information
- CAS
53783-86-1- Standard SMILES
CC1(C)CC(C#N)C1- InChIKey
JGQKDUIQJBOXRM-UHFFFAOYSA-N- Molecular formula
- C7H11N
- Average molar mass
- 109.17 g/mol
- Monoisotopic mass
- 109.08914936
Names & identifiers
- Preferred name
- Cyclobutanecarbonitrile, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylcyclobutane-1-carbonitrile
- English name
- 3,3-Dimethylcyclobutanecarbonitrile
- Molecular formula
- C7H11N
- Molecular weight
- 109.17
Names & synonyms
3,3-Dimethylcyclobutanecarbonitrile53783-86-1Cyclobutanecarbonitrile, 3,3-dimethyl-DTXSID60202063RefChem:129391DTXCID60124554JGQKDUIQJBOXRM-UHFFFAOYSA-N3,3-dimethylcyclobutane-1-carbonitrileMFCD18970744SCHEMBL9143364SCHEMBL17500712ALBB-031804
Show more names
3,3-Dimethylcyclobutanecarbonitrile #AKOS016344684AT20265LS-11590DB-304028EN300-378957
Database identifiers
- CAS
53783-86-1- PubChem CID
- 40897
- DTXSID
DTXSID60202063- EC Number
- 182-071-9
- Nikkaji
- J110.366K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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